Articles:
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oct-4-en-3-one
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 14129-48-7 |  3D/inchi
|
| FDA UNII: | 5Q55OU7FEN | |
| XlogP3-AA: | 2.20 (est) | |
| Molecular Weight: | 126.19878000 | |
| Formula: | C8 H14 O | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1843 (E,Z)-4-octen-3-one |
| FEMA Number: | 4328 4-octen-3-one |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 14129-48-7 ; 4-OCTEN-3-ONE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.84000 to 0.84400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.990 to 7.023 |
| Refractive Index: | 1.44200 to 1.44800 @ 20.00 °C. |
| Boiling Point: | 180.00 to 181.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 77.00 to 79.00 °C. @ 20.00 mm Hg |
| Vapor Pressure: | 0.897000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 152.00 °F. TCC ( 66.67 °C. ) |
| logP (o/w): | 2.179 (est) |
| Soluble in: | |
| alcohol | |
| water, 1045 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: coconut | |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| coconut fruity | |
| Odor Description: at 1.00 % in dipropylene glycol. | coconut fruity |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 4-Octen-3-one |
| BOC Sciences |
| For experimental / research use only. |
| Oct-4-en-3-one |
| Parchem |
| 4-octen-3-one |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 4-octen-3-one usage levels up to: | |||
| not for fragrance use. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 5.00000 | |
| beverages(nonalcoholic): | 1.00000 | 5.00000 | |
| beverages(alcoholic): | 2.00000 | 10.00000 | |
| breakfast cereal: | 1.00000 | 5.00000 | |
| cheese: | - | - | |
| chewing gum: | 2.00000 | 20.00000 | |
| condiments / relishes: | 1.00000 | 5.00000 | |
| confectionery froastings: | 1.00000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 5.00000 | |
| fruit ices: | 1.00000 | 5.00000 | |
| gelatins / puddings: | 1.00000 | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 10.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 2.00000 | 20.00000 | |
| jams / jellies: | 1.00000 | 5.00000 | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 1.00000 | 5.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 100.00000 | 1000.00000 | |
| snack foods: | 1.00000 | 5.00000 | |
| soft candy: | 1.00000 | 5.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | 1.00000 | 5.00000 | |
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 14129-48-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 84216 |
| National Institute of Allergy and Infectious Diseases: | Data |
| oct-4-en-3-one | |
| Chemidplus: | 0014129487 |
References:
| oct-4-en-3-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 84216 |
| Pubchem (sid): | 135039812 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32451 |
| FooDB: | FDB009961 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| coconut | FL | |
| coconut tropical coconut | FR | |
| deertongue absolute replacer | FR | |
| fig | FL | |
| flouve | FR | |
| flouve blossom | FR | |
| green grass | FR | |
| hay new mown hay | FR | |
| immortelle | FL/FR | |
| leaf autumn leaf | ||
| pina colada | FL | |
| straw | ||
| tobacco | FR | |
| tobacco | FR | |
| tobacco flower | FR | |
| tonka bean | FR | |
| wet fields |
Occurrence (nature, food, other): note
| melissa oil slovak republic @ 0.18% Data GC Search Trop Picture |
Synonyms:
| oct-4-en-3-one | |
| (E,Z)-4- | octen-3-one |